2-ethylsulfanyl-N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]benzamide

Systemtic Name: 2-ethylsulfanyl-N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]benzamide Openeye Name: 2-ethylsulfanyl-N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]benzamide CAS Name: 2-(ethylthio)-N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]benzamide IUPAC Name: 2-ethylsulfanyl-N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]benzamide Traditional Name: 2-(ethylthio)-N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]benzamide Formula: C22H28N2O4S2 MolecularWeight: 448.59872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)NCCCS(=O)(=O)N2CCC3=C(C2)C=CC(=C3)OC

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)NCCCS(=O)(=O)N2CCC3=C(C2)C=CC(=C3)OC

InChI

InChI=1S/C22H28N2O4S2/c1-3-29-21-8-5-4-7-20(21)22(25)23-12-6-14-30(26,27)24-13-11-17-15-19(28-2)10-9-18(17)16-24/h4-5,7-10,15H,3,6,11-14,16H2,1-2H3,(H,23,25)